oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate

C14H17FO4 — CID 71988295

IUPACoxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
SMILESCCOc1c(F)cccc1C(=O)OCC1CCCO1
InChIInChI=1S/C14H17FO4/c1-2-17-13-11(6-3-7-12(13)15)14(16)19-9-10-5-4-8-18-10/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyQMSPGUXSXJYHRV-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.56
Rot. Bonds5

About oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate

oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate (PubChem CID 71988295) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
PubChem CID71988295
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Nameoxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
SMILESCCOc1c(F)cccc1C(=O)OCC1CCCO1
InChIInChI=1S/C14H17FO4/c1-2-17-13-11(6-3-7-12(13)15)14(16)19-9-10-5-4-8-18-10/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyQMSPGUXSXJYHRV-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
oxolan-2-ylmethyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 71887688
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 97007291
oxolan-2-ylmethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 79884542
oxan-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271843
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
2-O-(oxolan-2-ylmethyl) 1-O-tetradecyl benzene-1,2-dicarboxylate
CID 6421095
1-O-nonyl 2-O-(oxolan-2-ylmethyl) benzene-1,2-dicarboxylate
CID 6421096
[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
CID 97014554
oxolan-2-ylmethyl 2-fluoro-5-sulfanylbenzoate
CID 107018460
oxolan-2-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61279294

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate?
The IUPAC name of oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate (CID 71988295) is oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate.
What is the SMILES notation for oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate?
The canonical SMILES for oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate is CCOc1c(F)cccc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate?
The InChIKey is QMSPGUXSXJYHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-2-17-13-11(6-3-7-12(13)15)14(16)19-9-10-5-4-8-18-10/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate?
oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate has a molecular weight of 268.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate is sourced from PubChem (CID 71988295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).